ChemSpider 2D Image | (3alpha,12beta,24Z)-12-(beta-D-Glucopyranosyloxy)-3-hydroxylanosta-7,9(11),24-trien-26-oic acid | C36H56O9

(3α,12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-hydroxylanosta-7,9(11),24-trien-26-oic acid

  • Molecular FormulaC36H56O9
  • Average mass632.824 Da
  • Monoisotopic mass632.392456 Da
  • ChemSpider ID23305540

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3α,12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-hydroxylanosta-7,9(11),24-trien-26-oic acid [ACD/IUPAC Name]
(3α,12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-hydroxylanosta-7,9(11),24-trien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,12β,24Z)-12-(β-D-glucopyranosyloxy)-3-hydroxylanosta-7,9(11),24-trién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11),24-trien-26-oic acid, 12-(β-D-glucopyranosyloxy)-3-hydroxy-, (3α,12β,24Z)- [ACD/Index Name]
(R,Z)-6-((3R,5R,10S,12R,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-12-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Oligoporin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 788.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.7±6.0 kJ/mol
Flash Point: 241.1±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 170.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 625.06
ACD/KOC (pH 5.5): 2332.86
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 10.79
ACD/KOC (pH 7.4): 40.28
Polar Surface Area: 157 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 501.2±5.0 cm3

Click to predict properties on the Chemicalize site


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